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	hartrees
Energy at 0K	-133.895641
Energy at 298.15K	-133.901166
HF Energy	-133.895641
Nuclear repulsion energy	72.165260

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3027	34.97
2	A'	3094	2965	26.22
3	A'	3006	2881	62.62
4	A'	2988	2863	50.10
5	A'	1769	1695	19.24
6	A'	1518	1455	19.45
7	A'	1486	1424	3.29
8	A'	1442	1382	1.48
9	A'	1244	1193	15.01
10	A'	1128	1081	0.52
11	A'	989	948	13.64
12	A'	473	454	5.75
13	A"	3118	2988	17.88
14	A"	1485	1423	4.40
15	A"	1144	1096	0.08
16	A"	1060	1016	18.56
17	A"	700	671	1.20
18	A"	225	216	8.72

Atom	x (Å)	y (Å)	z (Å)
C1	-1.073	-0.415	0.000
N2	0.000	0.555	0.000
C3	1.187	0.116	0.000
H4	-0.736	-1.465	0.000
H5	-1.705	-0.246	0.879
H6	-1.705	-0.246	-0.879
H7	1.447	-0.955	0.000
H8	2.018	0.824	0.000

	C1	N2	C3	H4	H5	H6	H7	H8
C1		1.4463	2.3218	1.1025	1.0957	1.0957	2.5776	3.3303
N2	1.4463		1.2655	2.1494	2.0790	2.0790	2.0912	2.0358
C3	2.3218	1.2655		2.4896	3.0447	3.0447	1.1021	1.0919
H4	1.1025	2.1494	2.4896		1.7878	1.7878	2.2422	3.5813
H5	1.0957	2.0790	3.0447	1.7878		1.7577	3.3487	3.9726
H6	1.0957	2.0790	3.0447	1.7878	1.7577		3.3487	3.9726
H7	2.5776	2.0912	1.1021	2.2422	3.3487	3.3487		1.8688
H8	3.3303	2.0358	1.0919	3.5813	3.9726	3.9726	1.8688

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N2	C3	117.626	N2	C1	H4	114.303
N2	C1	H5	108.960	N2	C1	H6	108.960
N2	C3	H7	123.930	N2	C3	H8	119.258
H4	C1	H5	108.841	H4	C1	H6	108.841
H5	C1	H6	106.662	H7	C3	H8	116.812

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)

using model chemistry: B3PW91/6-31G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	-0.254
2	N	-0.319
3	C	-0.065
4	H	0.106
5	H	0.151
6	H	0.151
7	H	0.099
8	H	0.131

	x	y	z	Total
	0.301	-1.444	0.000	1.475
CHELPG
AIM
ESP

	x	y	z
x	6.077	0.090	0.000
y	0.090	4.034	0.000
z	0.000	0.000	2.739

<r²>	48.245
(<r²>)^1/2	6.946

All results from a given calculation for CH2NCH3 (N-methylmethanimine)

using model chemistry: B3PW91/6-31G**

States and conformations

All results from a given calculation for CH₂NCH₃ (N-methylmethanimine)